SCHEMBL9612969

SCHEMBL9612969

Cc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(C)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
COMT P21964 1/20 0.38
CYP1A2 P05177 1/20 0.38
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTT P42858 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
CKS1B P61024 1/20 0.35
GLO1 Q04760 1/20 0.35
SKP2 Q13309 1/20 0.35
VHL P40337 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9612955 0.94 DHODH (0.47) DHODHMKNK1MKNK2COMTCYP1A2
SCHEMBL16189088 0.89 MKNK1 (0.54) DHODHMKNK1MKNK2COMTPRMT5
SCHEMBL18174795 0.87 DHODH (0.46) DHODHMKNK1MKNK2COMTCKS1B
SCHEMBL9612930 0.85 DHODH (0.50) DHODHMKNK1MKNK2MAPTCYP2A6
SCHEMBL18174786 0.85 DHODH (0.47) DHODHMKNK1MKNK2COMTPRMT5
SCHEMBL18174794 0.84 DHODH (0.42) DHODHMKNK1MKNK2COMTCYP1A2
SCHEMBL18174797 0.84 CYP17A1 (0.45) DHODHMKNK1MKNK2CYP1A2PTGS2
SCHEMBL9612977 0.83 DHODH (0.46) DHODHMKNK1MKNK2COMTPRMT5
SCHEMBL18174774 0.83 PTGS2 (0.47) DHODHMKNK1MKNK2COMTPTGS2
SCHEMBL10016748 0.83 DHODH (0.44) DHODHMKNK1MKNK2COMTPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed